ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
28376 | Cc1cc(NC(=O)c2cc(-c3ccco3)on2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][=N][O][Ring2][Ring1][C] | Cc1cc5no1.c16cc7on1.c17ccco1.C46=O.N45 |
28377 | O=C(c1cc(-c2cccs2)on1)N1CCOCC1 | [O][=C][Branch1][P][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14cc5on1.N13CCOCC1.c15cccs1.O=C34 |
28378 | CCC(C)NC(=O)c1cc(-c2cccs2)on1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2] | c15cc6on1.c16cccs1.CCC4C.C35=O.N34 |
28379 | COCC(C)NC(=O)c1cc(-c2cccs2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2] | c16cc7on1.c17cccs1.C4C5C.C36=O.CO4.N35 |
28380 | O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][N][=Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14cc5on1.N13CCOCC1.O=C34 |
28381 | COCC(C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][N][=Ring1][=N] | c17ccc(Cl)c(Cl)c1.c16cc7on1.C4C5C.C36=O.CO4.N35 |
28382 | Cn1cc(SCC(=O)N2CCCC2)c2ccccc21 | [C][N][C][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1cc5c2ccccc21.N13CCCC1.C4C3=O.S45 |
28383 | Cn1cc(SCC(=O)N2CCCCCC2)c2ccccc21 | [C][N][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1cc5c2ccccc21.N13CCCCCC1.C4C3=O.S45 |
28384 | Cn1cc(SCC(=O)NCc2ccco2)c2ccccc21 | [C][N][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1cc7c2ccccc21.c16ccco1.C5C3=O.S57.N34.C46 |
28385 | Cn1cc(SCC(=O)Nc2nccs2)c2ccccc21 | [C][N][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1cc6c2ccccc21.c15nccs1.C4C3=O.S46.N35 |
28386 | CCn1cc(SCC(=O)N2CCOCC2)c2ccccc21 | [C][C][N][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15cc6c2ccccc21.N13CCOCC1.C4C3=O.CC5.S46 |
28387 | CCn1cc(SCC(=O)NCc2ccco2)c2ccccc21 | [C][C][N][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16cc8c2ccccc21.c17ccco1.C5C3=O.CC6.S58.N34.C47 |
28388 | CCCn1cc(SCC(=O)Nc2nccs2)c2ccccc21 | [C][C][C][N][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16cc7c2ccccc21.c15nccs1.C4C3=O.CCC6.S47.N35 |
28389 | CCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21 | [C][C][C][N][C][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16cc7c2ccccc21.c15nnc(C)s1.C4C3=O.CCC6.S47.N35 |
28390 | O=C(CSc1c[nH]c2ccccc12)Nc1ccccc1 | [O][=C][Branch1][S][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c[nH]c2ccccc12.c15ccccc1.O=C3C4.S46.N35 |
28391 | COc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18c[nH]c2ccccc12.c15ccc7cc1.C4(=O)C6.CO5.N47.S68 |
28392 | O=C(CSc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][S][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16c[nH]c2ccccc12.c15ccc2c(c1)OCO2.O=C3C4.S46.N35 |
28393 | O=C(CSc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16c[nH]c2ccccc12.O=C3C4.S46.N35 |
28394 | COc1ccc(NC(=O)CSc2c[nH]c3ccccc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c19c[nH]c2ccccc12.c15ccc8c6c1.C4(=O)C7.CO5.N48.S79.O6C |
28395 | O=C(CSc1c[nH]c2ccccc12)Nc1nccs1 | [O][=C][Branch1][S][C][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c16c[nH]c2ccccc12.c15nccs1.O=C3C4.S46.N35 |
28396 | O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][N][N][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | c14ccc6cc1.n16nncc17.c17ccccc1.c15ccco1.O=C35.N34 |
28397 | O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][N][=N][C][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccc6cc1.c15cccc(F)c1.n16nncc17.c17ccco1.O=C35.N34 |
28398 | O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][N][=N][C][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc6cc1.c15ccc(F)cc1.n16nncc17.c17ccco1.O=C35.N34 |
28399 | Cc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | N14S(=O)(=O)c2ccccc2S1(=O)=O.Cc1ccc4cc1 |
28400 | Cc1ccc(C)c(N2S(=O)(=O)c3ccccc3S2(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | N14S(=O)(=O)c2ccccc2S1(=O)=O.Cc1ccc(C)c4c1 |
28402 | COc1ccccc1Cc1noc(-c2ccc(C#N)cc2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][=N] | c16ccc(C#N)cc1.c13ccccc15.c14noc6n1.CO3.C45 |
28403 | Oc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | Oc1ccc4cc1.c15ccc(F)cc1.c14noc5n1 |
28404 | Cc1cc(C(=O)NCc2ccc(Cl)cc2)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][S] | c16ccc(Cl)cc1.Cc1cc5no1.C35=O.N34.C46 |
28405 | COc1ccc(CCNC(=O)c2cc(C)on2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17cc(C)on1.C8C6.C37=O.CO4.N36.O5C |
28406 | Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][S] | c14cc(Cl)ccc1Cl.Cc1cc5no1.C35=O.N34 |
28407 | Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][S] | c14c(Cl)cccc1Cl.Cc1cc5no1.C35=O.N34 |
28408 | Cc1cc(C(=O)Nc2cc(Cl)ccc2O)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][O][Ring1][S] | c14cc(Cl)ccc1O.Cc1cc5no1.C35=O.N34 |
28409 | Cc1cc(C(=O)Nc2cc(Br)ccc2O)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=N][O][Ring1][S] | c14cc(Br)ccc1O.Cc1cc5no1.C35=O.N34 |
28413 | Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring2][Ring1][C] | c14ccccc16.Cc1cc5no1.C6(F)(F)F.C35=O.N34 |
28414 | COc1ccc(NC(=O)c2cc(C)on2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.c17cc(C)on1.C37=O.CO4.N36.O5C |
28415 | Cc1cc(C(=O)Nc2ccc(Br)cc2)no1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][#C] | c14ccc(Br)cc1.Cc1cc5no1.C35=O.N34 |
28416 | COc1cc(NC(=O)c2cc(C)on2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c18cc(C)on1.C38=O.CO4.N37.O5C.O6C |
28419 | CCOC(=O)c1c(NC(=O)c2cc(C)on2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][P][C] | c19c6sc8c1C.c17cc(C)on1.C39=O.C47=O.C8(C)=O.CC5.O35.N46 |
28420 | Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O][=N][O][Ring2][Ring1][Branch1] | c15sc2c(c17)CCC(C)C2.Cc1cc6no1.C46=O.C7(N)=O.N45 |
28422 | O=C(Nc1cccc(Cl)c1)c1noc2c1CCC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c15noc2c1CCC2.c14cccc(Cl)c1.O=C35.N34 |
28423 | O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCC2 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c14cc(Cl)ccc1Cl.c15noc2c1CCC2.O=C35.N34 |
28424 | O=C(Nc1cc(Br)ccc1O)c1noc2c1CCC2 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c14cc(Br)ccc1O.c15noc2c1CCC2.O=C35.N34 |
28425 | Cc1ccc(O)c(NC(=O)c2noc3c2CCC3)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1ccc(O)c5c1.c16noc2c1CCC2.C46=O.N45 |
28426 | COC(=O)c1ccccc1NC(=O)c1noc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c16noc2c1CCC2.c17ccccc15.C37=O.C46=O.CO3.N45 |
28427 | CCc1ccc(NC(=O)c2noc3c2CCC3)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][P] | c16noc2c1CCC2.c17ccc5cc1.C46=O.CC7.N45 |
28428 | Cc1c(Cl)cccc1NC(=O)c1noc2c1CCC2 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | Cc1c4cccc1Cl.c15noc2c1CCC2.C35=O.N34 |
28430 | Cc1ccc(NC(=O)c2noc3c2CCC3)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16noc2c1CCC2.C46=O.N45 |
28431 | O=C(Nc1cccc(C(F)(F)F)c1)c1noc2c1CCC2 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c15noc2c1CCC2.c14cccc6c1.C6(F)(F)F.O=C35.N34 |
28432 | O=C(Nc1ccc(Br)cc1)c1noc2c1CCC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c15noc2c1CCC2.c14ccc(Br)cc1.O=C35.N34 |
28433 | CSc1ccccc1NC(=O)c1noc2c1CCC2 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c15noc2c1CCC2.c16ccccc14.C35=O.CS6.N34 |
28434 | COc1ccc(NC(=O)c2noc3c2CCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][P][O][C] | c15ccc7cc16.c18noc2c1CCC2.C48=O.CO5.N47.O6C |
28435 | O=C(Nc1ccc(OC(F)(F)F)cc1)c1noc2c1CCC2 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c16noc2c1CCC2.c15ccc4cc1.O4C(F)(F)F.O=C36.N35 |
28436 | COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][Cl] | c15cc7c6cc1Cl.c18noc2c1CCC2.C48=O.CO5.N47.O6C |
28437 | COc1ccc(Cl)cc1NC(=O)c1noc2c1CCC2 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1] | c14ccc(Cl)cc15.c16noc2c1CCC2.C36=O.CO4.N35 |
28438 | CC(=O)c1cccc(NC(=O)c2noc3c2CCC3)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][=C][Ring1][P] | c16noc2c1CCC2.c17cccc5c1.CC7=O.C46=O.N45 |
28439 | COc1cc(NC(=O)c2noc3c2CCC3)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c15cc8cc6c17.c19noc2c1CCC2.C49=O.CO5.N48.O6C.O7C |
28441 | O=C(NCc1cccs1)c1noc2c1CCCC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15noc2c1CCCC2.c16cccs1.O=C35.N34.C46 |
28442 | O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCC2 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15noc2c1CCCC2.c16ccc(Cl)cc1.O=C35.N34.C46 |
28443 | CC(NC(=O)c1noc2c1CCCC2)c1ccccc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15noc2c1CCCC2.c16ccccc1.CC46.C35=O.N34 |
28444 | O=C(c1noc2c1CCCC2)N1CCc2ccccc2C1 | [O][=C][Branch1][=C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14noc2c1CCCC2.O=C34 |
28445 | O=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCC2 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15noc2c1CCCC2.O=C35.N34 |
28447 | CCN(CC)c1ncnc2c1cnn2-c1ccc(Cl)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ncnc2c1cnn26.c16ccc(Cl)cc1.N345.CC3.C4C |
28448 | CCN(CC)c1ncnc2c1cnn2-c1cccc(C)c1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15ncnc2c1cnn26.c16cccc(C)c1.N345.CC3.C4C |
28452 | CN(CCc1ccccn1)c1ncnc2c1cnn2-c1ccccc1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ncnc2c1cnn26.c15ccccn1.c16ccccc1.CN34.C3C5 |
28453 | COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n17ncc2c6ncnc21.c15ccc7cc1.N16CCCCC1.CO5 |
28454 | Cc1ccc(-n2ncc3c(N4CCOCC4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.Cc1ccc6c(C)c1.N15CCOCC1 |
28455 | COc1ccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n17ncc2c6ncnc21.c15ccc7cc1.N16CCCC(C)C1.CO5 |
28465 | c1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][P][N][N][=C][C][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] | n17ncc2c6ncnc21.N16CCC2(CC1)OCCO2.c1ccc7cc1 |
28469 | OCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1 | [O][C][C][N][Branch1][Ring2][C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ncnc2c1cnn26.c16ccc(Cl)cc1.OCC3.N345.C4CO |
28470 | CC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c14ncnc2c1cnn25.CC1CN4CC(C)O1.c15ccc(Cl)cc1 |
28476 | COc1ccc(-n2ncc3c(N4CC(C)CC(C)C4)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][C][=C][Branch1][#C][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | n17ncc2c6ncnc21.N16CC(C)CC(C)C1.c15ccc7cc1.CO5 |
28477 | COc1ccc(-n2ncc3c(N4CC(C)OC(C)C4)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | n17ncc2c6ncnc21.N16CC(C)OC(C)C1.c15ccc7cc1.CO5 |
28478 | Cc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | n18ncc2c6ncnc21.Cc1ccc8c(C)c1.c17cccnc1.N56.C57 |
28479 | Cc1ccc(-n2ncc3c(N4CC(C)OC(C)C4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | n16ncc2c5ncnc21.Cc1ccc6c(C)c1.N15CC(C)OC(C)C1 |
28484 | Cc1ccccc1Cn1cc(NC(=O)c2noc3c2CCCC3)cn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][P] | c16noc2c1CCCC2.Cc1ccccc18.n17cc5cn1.C46=O.C78.N45 |
28486 | O=C(NCc1ccco1)c1noc2c1CCCCC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15noc2c1CCCCC2.c16ccco1.O=C35.N34.C46 |
28487 | O=C(NCCc1ccccc1)c1noc2c1CCCCC2 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15noc2c1CCCCC2.c16ccccc1.O=C35.C4C6.N34 |
28489 | O=C(c1noc2c1CCCCC2)N1CCc2ccccc2C1 | [O][=C][Branch1][#C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c14noc2c1CCCCC2.N13CCc2ccccc2C1.O=C34 |
28490 | COc1ccc(CCNC(=O)c2noc3c2CCCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c18noc2c1CCCCC2.c15ccc9cc16.C9C7.C48=O.CO5.N47.O6C |
28491 | Cc1ccc(O)c(NC(=O)c2noc3c2CCCCC3)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c16noc2c1CCCCC2.Cc1ccc(O)c5c1.C46=O.N45 |
28493 | CC(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16noc2c1CCCCC2.c17ccc5cc1.CC7=O.C46=O.N45 |
28494 | COc1ccc(NC(=O)c2noc3c2CCCCC3)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18noc2c1CCCCC2.c15ccc7c6c1.C48=O.CO5.N47.O6C |
28495 | O=C(Nc1cccc(O)c1)c1noc2c1CCCCC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15noc2c1CCCCC2.c14cccc(O)c1.O=C35.N34 |
28496 | O=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCCC2 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15noc2c1CCCCC2.c14ccc2c(c1)OCO2.O=C35.N34 |
28497 | COc1ccc(NC(=O)c2noc3c2CCCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c18noc2c1CCCCC2.c15ccc7cc16.C48=O.CO5.N47.O6C |
28498 | CC(=O)c1cccc(NC(=O)c2noc3c2CCCCC3)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16noc2c1CCCCC2.c17cccc5c1.CC7=O.C46=O.N45 |
28499 | O=C(Nc1ccc(F)cc1F)c1noc2c1CCCCC2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15noc2c1CCCCC2.c14ccc(F)cc1F.O=C35.N34 |
28501 | COc1cc(NC(=O)c2noc3c2CCCCC3)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c19noc2c1CCCCC2.c15cc8cc6c17.C49=O.CO5.N48.O6C.O7C |
28502 | COc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17noc2c1CCCCC2.c15ccc6cc1.C47=O.CO5.N46 |
28504 | CC(C)(C)C1CCc2onc(C(=O)Nc3cccnc3)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][O][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=C][C][Ring2][Ring1][C] | C17CCc2onc6c2C1.c15cccnc1.CC7(C)C.C46=O.N45 |
28507 | COc1ccc2c(c1)CCc1c(C(=O)NCC(C)C)noc1-2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][O][C][=Ring1][N][Ring1][P] | c14ccc2c(c1)CCc1c6noc1-2.C5C(C)C.C36=O.CO4.N35 |
28509 | COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(O)c3)noc1-2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][O][C][=Ring1][#C][Ring2][Ring1][Ring2] | c15ccc2c(c1)CCc1c7noc1-2.c16cccc(O)c1.C47=O.CO5.N46 |
28510 | Fc1ccc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16cc4nc5n1.Fc1ccc6cc1.n15ccnc1.C4(F)(F)F |
28511 | Cc1nccn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P] | c14nc3cc5n1.c15ccc(F)cc1.Cc1nccn14.C3(F)(F)F |
28512 | COc1ccc(-c2cc(C(F)(F)F)nc(N)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][N][=N][Ring1][O][C][=C][Ring1][P][O][C] | c13ccc6cc14.c16cc5nc(N)n1.C5(F)(F)F.CO3.O4C |
28513 | FC(F)(F)c1cc(-c2cccs2)nc(-n2ccnc2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][S] | c13cc5nc4n1.c15cccs1.n14ccnc1.FC3(F)F |
28514 | FC(F)(F)c1cc(-c2cccs2)nc(-n2cncn2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][Ring1][S] | c13cc5nc4n1.c15cccs1.n14cncn1.FC3(F)F |
28515 | FC(F)(F)c1cc(-c2ccco2)nc(-n2cccn2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][Ring1][S] | c13cc5nc4n1.c15ccco1.n14cccn1.FC3(F)F |
28516 | Cc1ccnn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 | [C][C][=C][C][=N][N][Ring1][Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#C] | c14nc3cc5n1.Cc1ccnn14.c15ccco1.C3(F)(F)F |
28517 | FC(F)(F)c1cc(-c2ccco2)nc(-n2cc(Cl)cn2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][O][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][=N][Ring1][P] | c13cc5nc4n1.n14cc(Cl)cn1.c15ccco1.FC3(F)F |
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